5-[(3-methylphenyl)carbonylamino]-2-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]benzoic acid

Systemtic Name: 5-[(3-methylphenyl)carbonylamino]-2-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]benzoic acid Openeye Name: 5-[(3-methylbenzoyl)amino]-2-[4-(o-tolyl)-3,6-dihydro-2H-pyridin-1-yl]benzoic acid CAS Name: 2-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 5-[(3-methylbenzoyl)amino]-2-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]benzoic acid Traditional Name: 5-(m-toluoylamino)-2-[4-(o-tolyl)-3,6-dihydro-2H-pyridin-1-yl]benzoic acid Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)N3CCC(=CC3)C4=CC=CC=C4C)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)N3CCC(=CC3)C4=CC=CC=C4C)C(=O)O

InChI

InChI=1S/C27H26N2O3/c1-18-6-5-8-21(16-18)26(30)28-22-10-11-25(24(17-22)27(31)32)29-14-12-20(13-15-29)23-9-4-3-7-19(23)2/h3-12,16-17H,13-15H2,1-2H3,(H,28,30)(H,31,32)